data_31061 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31061 _Entry.Title ; Structure of pre-miR-31 reveals an active role in Dicer processing ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-12-01 _Entry.Accession_date 2022-12-01 _Entry.Last_release_date 2022-12-26 _Entry.Original_release_date 2022-12-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 A. Kotar A. . . . 31061 2 S. Ma S. . . . 31061 3 S. Keane S. . . . 31061 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Dicer . 31061 'Dicer processing' . 31061 RNA . 31061 'apical loop' . 31061 biogenesis . 31061 miR-31 . 31061 pre-miR-31 . 31061 pre-miRNA . 31061 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31061 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 54 31061 '1H chemical shifts' 329 31061 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-02-14 . original BMRB . 31061 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8FCS 'BMRB Entry Tracking System' 31061 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31061 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of pre-miR-31 reveals an active role in Dicer processing ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Kotar A. . . . 31061 1 2 S. Ma S. . . . 31061 1 3 S. Keane S. . . . 31061 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31061 _Assembly.ID 1 _Assembly.Name 'microRNA 31' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31061 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31061 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGAGAGGAGGCAAGAUGCUG GCAUAGCUGUUGAACUGGGA ACCUGCUAUGCCAACAUAUU GCCAUCUUUCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22872.592 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MIR31 common 31061 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 31061 1 2 . G . 31061 1 3 . A . 31061 1 4 . G . 31061 1 5 . A . 31061 1 6 . G . 31061 1 7 . G . 31061 1 8 . A . 31061 1 9 . G . 31061 1 10 . G . 31061 1 11 . C . 31061 1 12 . A . 31061 1 13 . A . 31061 1 14 . G . 31061 1 15 . A . 31061 1 16 . U . 31061 1 17 . G . 31061 1 18 . C . 31061 1 19 . U . 31061 1 20 . G . 31061 1 21 . G . 31061 1 22 . C . 31061 1 23 . A . 31061 1 24 . U . 31061 1 25 . A . 31061 1 26 . G . 31061 1 27 . C . 31061 1 28 . U . 31061 1 29 . G . 31061 1 30 . U . 31061 1 31 . U . 31061 1 32 . G . 31061 1 33 . A . 31061 1 34 . A . 31061 1 35 . C . 31061 1 36 . U . 31061 1 37 . G . 31061 1 38 . G . 31061 1 39 . G . 31061 1 40 . A . 31061 1 41 . A . 31061 1 42 . C . 31061 1 43 . C . 31061 1 44 . U . 31061 1 45 . G . 31061 1 46 . C . 31061 1 47 . U . 31061 1 48 . A . 31061 1 49 . U . 31061 1 50 . G . 31061 1 51 . C . 31061 1 52 . C . 31061 1 53 . A . 31061 1 54 . A . 31061 1 55 . C . 31061 1 56 . A . 31061 1 57 . U . 31061 1 58 . A . 31061 1 59 . U . 31061 1 60 . U . 31061 1 61 . G . 31061 1 62 . C . 31061 1 63 . C . 31061 1 64 . A . 31061 1 65 . U . 31061 1 66 . C . 31061 1 67 . U . 31061 1 68 . U . 31061 1 69 . U . 31061 1 70 . C . 31061 1 71 . C . 31061 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . G 1 1 31061 1 . G 2 2 31061 1 . A 3 3 31061 1 . G 4 4 31061 1 . A 5 5 31061 1 . G 6 6 31061 1 . G 7 7 31061 1 . A 8 8 31061 1 . G 9 9 31061 1 . G 10 10 31061 1 . C 11 11 31061 1 . A 12 12 31061 1 . A 13 13 31061 1 . G 14 14 31061 1 . A 15 15 31061 1 . U 16 16 31061 1 . G 17 17 31061 1 . C 18 18 31061 1 . U 19 19 31061 1 . G 20 20 31061 1 . G 21 21 31061 1 . C 22 22 31061 1 . A 23 23 31061 1 . U 24 24 31061 1 . A 25 25 31061 1 . G 26 26 31061 1 . C 27 27 31061 1 . U 28 28 31061 1 . G 29 29 31061 1 . U 30 30 31061 1 . U 31 31 31061 1 . G 32 32 31061 1 . A 33 33 31061 1 . A 34 34 31061 1 . C 35 35 31061 1 . U 36 36 31061 1 . G 37 37 31061 1 . G 38 38 31061 1 . G 39 39 31061 1 . A 40 40 31061 1 . A 41 41 31061 1 . C 42 42 31061 1 . C 43 43 31061 1 . U 44 44 31061 1 . G 45 45 31061 1 . C 46 46 31061 1 . U 47 47 31061 1 . A 48 48 31061 1 . U 49 49 31061 1 . G 50 50 31061 1 . C 51 51 31061 1 . C 52 52 31061 1 . A 53 53 31061 1 . A 54 54 31061 1 . C 55 55 31061 1 . A 56 56 31061 1 . U 57 57 31061 1 . A 58 58 31061 1 . U 59 59 31061 1 . U 60 60 31061 1 . G 61 61 31061 1 . C 62 62 31061 1 . C 63 63 31061 1 . A 64 64 31061 1 . U 65 65 31061 1 . C 66 66 31061 1 . U 67 67 31061 1 . U 68 68 31061 1 . U 69 69 31061 1 . C 70 70 31061 1 . C 71 71 31061 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 31061 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 31061 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 31061 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 31061 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31061 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM RNA (71-MER), 50 mM KPhosphate buffer, 1 mM non MgCl2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (71-MER)' 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM . . . . 31061 1 2 'KPhosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 31061 1 3 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 31061 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31061 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.45 mM A2rGr-labeled RNA (71-MER), 50 mM KPhosphate buffer, 1 mM MgCl2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (71-MER)' A2rGr-labeled . . 1 $entity_1 . . 0.45 . . mM . . . . 31061 2 2 'KPhosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 31061 2 3 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 31061 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 31061 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.45 mM A2rGrUr-labeled RNA (71-MER), 50 mM KPhosphate buffer, 1 mM MgCl2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (71-MER)' A2rGrUr-labeled . . 1 $entity_1 . . 0.45 . . mM . . . . 31061 3 2 'KPhosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 31061 3 3 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 31061 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 31061 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.45 mM AHCH-labeled RNA (71-MER), 50 mM KPhosphate buffer, 1 mM MgCl2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (71-MER)' AHCH-labeled . . 1 $entity_1 . . 0.45 . . mM . . . . 31061 4 2 'KPhosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 31061 4 3 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 31061 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 31061 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.45 mM GHU6r-labeled RNA (71-MER), 50 mM KPhosphate buffer, 1 mM MgCl2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (71-MER)' GHU6r-labeled . . 1 $entity_1 . . 0.45 . . mM . . . . 31061 5 2 'KPhosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 31061 5 3 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 31061 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 31061 _Sample.ID 6 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.48 mM 15N/13C AG-labeled RNA (71-MER), 50 mM KPhosphate buffer, 1 mM MgCl2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (71-MER)' '15N/13C AG-labeled' . . 1 $entity_1 . . 0.48 . . mM . . . . 31061 6 2 'KPhosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 31061 6 3 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 31061 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 31061 _Sample.ID 7 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.56 mM 15N AU-labeled RNA (71-MER), 50 mM KPhosphate buffer, 1 mM MgCl2, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (71-MER)' '15N AU-labeled' . . 1 $entity_1 . . 0.56 . . mM . . . . 31061 7 2 'KPhosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 31061 7 3 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 31061 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 31061 _Sample.ID 8 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.48 mM 15N/13C AG-labeled_2 RNA (71-MER), 50 mM KPhosphate buffer, 1 mM MgCl2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (71-MER)' '15N/13C AG-labeled_2' . . 1 $entity_1 . . 0.48 . . mM . . . . 31061 8 2 'KPhosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 31061 8 3 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 31061 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 31061 _Sample.ID 9 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.40 mM 15N/13C AG-labeled_3 RNA (71-MER), 50 mM KPhosphate buffer, 1 mM MgCl2, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (71-MER)' '15N/13C AG-labeled_3' . . 1 $entity_1 . . 0.40 . . mM . . . . 31061 9 2 'KPhosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 31061 9 3 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 31061 9 stop_ save_ save_sample_10 _Sample.Sf_category sample _Sample.Sf_framecode sample_10 _Sample.Entry_ID 31061 _Sample.ID 10 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.60 mM 15N/13C AG-labeled_4 RNA (71-MER), 50 mM KPhosphate buffer, 1 mM non MgCl2, 10 mg/mL non Pf1 phage, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (71-MER)' '15N/13C AG-labeled_4' . . 1 $entity_1 . . 0.60 . . mM . . . . 31061 10 2 'KPhosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 31061 10 3 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 31061 10 4 'Pf1 phage' 'natural abundance' . . . . . . 10 . . mg/mL . . . . 31061 10 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 31061 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0025 . M 31061 1 pH 7.5 . pD 31061 1 pressure 1 . atm 31061 1 temperature 310 . K 31061 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 31061 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0025 . M 31061 2 pH 7.5 . pH 31061 2 pressure 1 . atm 31061 2 temperature 310 . K 31061 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31061 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31061 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 31061 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31061 _Software.ID 2 _Software.Type . _Software.Name NMRFx _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Johnson . . 31061 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31061 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31061 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version 9.2.0-b24 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Johnson . . 31061 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31061 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31061 _Software.ID 4 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Johnson . . 31061 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31061 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 31061 _Software.ID 5 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 31061 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31061 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 31061 _Software.ID 6 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . 31061 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31061 6 'structure calculation' . 31061 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31061 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31061 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31061 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 600 . . . 31061 1 2 NMR_spectrometer_2 Bruker 'AVANCE NEO' . 800 . . . 31061 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 31061 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31061 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31061 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31061 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31061 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31061 1 6 '2D 1H-13C IPAP-HSQC' no . . . . . . . . . . . . 9 $sample_9 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31061 1 7 '2D 1H-15N BESTsellr HNN COSY' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31061 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . . . 7 $sample_7 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31061 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31061 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31061 1 11 '2D 1H-13C IPAP-HSQC' no . . . . . . . . . . . . 10 $sample_10 anisotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31061 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31061 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 31061 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . 31061 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 31061 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31061 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 31061 1 2 '2D 1H-1H NOESY' . . . 31061 1 3 '2D 1H-1H NOESY' . . . 31061 1 4 '2D 1H-1H NOESY' . . . 31061 1 5 '2D 1H-1H NOESY' . . . 31061 1 6 '2D 1H-13C IPAP-HSQC' . . . 31061 1 7 '2D 1H-15N BESTsellr HNN COSY' . . . 31061 1 8 '2D 1H-15N HSQC' . . . 31061 1 9 '2D 1H-13C HSQC' . . . 31061 1 10 '2D 1H-1H TOCSY' . . . 31061 1 11 '2D 1H-13C IPAP-HSQC' . . . 31061 1 12 '2D 1H-13C HSQC' . . . 31061 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1' H 1 5.9301 0.0000 . 1 . . . . A 1 G H1' . 31061 1 2 . 1 . 1 1 1 G H2' H 1 4.9247 0.0000 . 1 . . . . A 1 G H2' . 31061 1 3 . 1 . 1 1 1 G H3' H 1 4.6637 0.0000 . 1 . . . . A 1 G H3' . 31061 1 4 . 1 . 1 1 1 G H8 H 1 8.2665 0.0000 . 1 . . . . A 1 G H8 . 31061 1 5 . 1 . 1 1 1 G C8 C 13 140.3781 0.0000 . 1 . . . . A 1 G C8 . 31061 1 6 . 1 . 1 2 2 G H1' H 1 5.8167 0.0000 . 1 . . . . A 2 G H1' . 31061 1 7 . 1 . 1 2 2 G H2' H 1 4.7505 0.0000 . 1 . . . . A 2 G H2' . 31061 1 8 . 1 . 1 2 2 G H8 H 1 7.6369 0.0000 . 1 . . . . A 2 G H8 . 31061 1 9 . 1 . 1 2 2 G C8 C 13 136.9422 0.0000 . 1 . . . . A 2 G C8 . 31061 1 10 . 1 . 1 3 3 A H1' H 1 6.1657 0.0000 . 1 . . . . A 3 A H1' . 31061 1 11 . 1 . 1 3 3 A H2 H 1 7.5105 0.0000 . 1 . . . . A 3 A H2 . 31061 1 12 . 1 . 1 3 3 A H2' H 1 4.7564 0.0000 . 1 . . . . A 3 A H2' . 31061 1 13 . 1 . 1 3 3 A H3' H 1 4.3147 0.0000 . 1 . . . . A 3 A H3' . 31061 1 14 . 1 . 1 3 3 A H8 H 1 7.9066 0.0000 . 1 . . . . A 3 A H8 . 31061 1 15 . 1 . 1 3 3 A C2 C 13 153.9109 0.0000 . 1 . . . . A 3 A C2 . 31061 1 16 . 1 . 1 3 3 A C8 C 13 140.9508 0.0000 . 1 . . . . A 3 A C8 . 31061 1 17 . 1 . 1 4 4 G H1' H 1 5.6700 0.0000 . 1 . . . . A 4 G H1' . 31061 1 18 . 1 . 1 4 4 G H2' H 1 4.5719 0.0000 . 1 . . . . A 4 G H2' . 31061 1 19 . 1 . 1 4 4 G H3' H 1 4.3347 0.0000 . 1 . . . . A 4 G H3' . 31061 1 20 . 1 . 1 4 4 G H8 H 1 6.9721 0.0000 . 1 . . . . A 4 G H8 . 31061 1 21 . 1 . 1 4 4 G C8 C 13 137.2542 0.0000 . 1 . . . . A 4 G C8 . 31061 1 22 . 1 . 1 5 5 A H1' H 1 6.0387 0.0000 . 1 . . . . A 5 A H1' . 31061 1 23 . 1 . 1 5 5 A H2 H 1 7.7233 0.0000 . 1 . . . . A 5 A H2 . 31061 1 24 . 1 . 1 5 5 A H2' H 1 4.7865 0.0000 . 1 . . . . A 5 A H2' . 31061 1 25 . 1 . 1 5 5 A H3' H 1 4.5783 0.0000 . 1 . . . . A 5 A H3' . 31061 1 26 . 1 . 1 5 5 A H8 H 1 7.7431 0.0000 . 1 . . . . A 5 A H8 . 31061 1 27 . 1 . 1 5 5 A C2 C 13 154.3963 0.0000 . 1 . . . . A 5 A C2 . 31061 1 28 . 1 . 1 5 5 A C8 C 13 139.9971 0.0000 . 1 . . . . A 5 A C8 . 31061 1 29 . 1 . 1 6 6 G H1' H 1 5.7386 0.0000 . 1 . . . . A 6 G H1' . 31061 1 30 . 1 . 1 6 6 G H2' H 1 4.5768 0.0000 . 1 . . . . A 6 G H2' . 31061 1 31 . 1 . 1 6 6 G H3' H 1 4.7724 0.0000 . 1 . . . . A 6 G H3' . 31061 1 32 . 1 . 1 6 6 G H8 H 1 7.1342 0.0000 . 1 . . . . A 6 G H8 . 31061 1 33 . 1 . 1 6 6 G C8 C 13 136.6142 0.0000 . 1 . . . . A 6 G C8 . 31061 1 34 . 1 . 1 7 7 G H1' H 1 5.8170 0.0000 . 1 . . . . A 7 G H1' . 31061 1 35 . 1 . 1 7 7 G H2' H 1 4.5964 0.0000 . 1 . . . . A 7 G H2' . 31061 1 36 . 1 . 1 7 7 G H3' H 1 4.6357 0.0000 . 1 . . . . A 7 G H3' . 31061 1 37 . 1 . 1 7 7 G H8 H 1 7.2350 0.0000 . 1 . . . . A 7 G H8 . 31061 1 38 . 1 . 1 7 7 G C8 C 13 137.7059 0.0000 . 1 . . . . A 7 G C8 . 31061 1 39 . 1 . 1 8 8 A H1' H 1 6.1311 0.0000 . 1 . . . . A 8 A H1' . 31061 1 40 . 1 . 1 8 8 A H2 H 1 8.1440 0.0000 . 1 . . . . A 8 A H2 . 31061 1 41 . 1 . 1 8 8 A H2' H 1 4.5831 0.0000 . 1 . . . . A 8 A H2' . 31061 1 42 . 1 . 1 8 8 A H3' H 1 4.7406 0.0000 . 1 . . . . A 8 A H3' . 31061 1 43 . 1 . 1 8 8 A H8 H 1 7.9618 0.0000 . 1 . . . . A 8 A H8 . 31061 1 44 . 1 . 1 8 8 A C2 C 13 155.9452 0.0000 . 1 . . . . A 8 A C2 . 31061 1 45 . 1 . 1 8 8 A C8 C 13 139.8891 0.0000 . 1 . . . . A 8 A C8 . 31061 1 46 . 1 . 1 9 9 G H1' H 1 5.6069 0.0000 . 1 . . . . A 9 G H1' . 31061 1 47 . 1 . 1 9 9 G H2' H 1 4.5798 0.0000 . 1 . . . . A 9 G H2' . 31061 1 48 . 1 . 1 9 9 G H3' H 1 4.3484 0.0000 . 1 . . . . A 9 G H3' . 31061 1 49 . 1 . 1 9 9 G H8 H 1 6.9889 0.0000 . 1 . . . . A 9 G H8 . 31061 1 50 . 1 . 1 9 9 G C8 C 13 137.0874 0.0000 . 1 . . . . A 9 G C8 . 31061 1 51 . 1 . 1 10 10 G H1' H 1 5.8419 0.0000 . 1 . . . . A 10 G H1' . 31061 1 52 . 1 . 1 10 10 G H2' H 1 4.6402 0.0000 . 1 . . . . A 10 G H2' . 31061 1 53 . 1 . 1 10 10 G H3' H 1 4.6135 0.0000 . 1 . . . . A 10 G H3' . 31061 1 54 . 1 . 1 10 10 G H8 H 1 7.4171 0.0000 . 1 . . . . A 10 G H8 . 31061 1 55 . 1 . 1 10 10 G C8 C 13 136.9221 0.0000 . 1 . . . . A 10 G C8 . 31061 1 56 . 1 . 1 11 11 C H1' H 1 5.5443 0.0000 . 1 . . . . A 11 C H1' . 31061 1 57 . 1 . 1 11 11 C H2' H 1 4.5967 0.0000 . 1 . . . . A 11 C H2' . 31061 1 58 . 1 . 1 11 11 C H3' H 1 4.6416 0.0000 . 1 . . . . A 11 C H3' . 31061 1 59 . 1 . 1 11 11 C H5 H 1 5.2494 0.0000 . 1 . . . . A 11 C H5 . 31061 1 60 . 1 . 1 11 11 C H6 H 1 7.6399 0.0000 . 1 . . . . A 11 C H6 . 31061 1 61 . 1 . 1 12 12 A H1' H 1 5.9240 0.0000 . 1 . . . . A 12 A H1' . 31061 1 62 . 1 . 1 12 12 A H2 H 1 6.7454 0.0000 . 1 . . . . A 12 A H2 . 31061 1 63 . 1 . 1 12 12 A H2' H 1 4.6408 0.0000 . 1 . . . . A 12 A H2' . 31061 1 64 . 1 . 1 12 12 A H3' H 1 4.5644 0.0000 . 1 . . . . A 12 A H3' . 31061 1 65 . 1 . 1 12 12 A H8 H 1 7.9698 0.0000 . 1 . . . . A 12 A H8 . 31061 1 66 . 1 . 1 12 12 A C2 C 13 152.6281 0.0000 . 1 . . . . A 12 A C2 . 31061 1 67 . 1 . 1 12 12 A C8 C 13 140.2379 0.0000 . 1 . . . . A 12 A C8 . 31061 1 68 . 1 . 1 13 13 A H1' H 1 5.8210 0.0000 . 1 . . . . A 13 A H1' . 31061 1 69 . 1 . 1 13 13 A H2 H 1 7.5083 0.0000 . 1 . . . . A 13 A H2 . 31061 1 70 . 1 . 1 13 13 A H2' H 1 4.5644 0.0000 . 1 . . . . A 13 A H2' . 31061 1 71 . 1 . 1 13 13 A H3' H 1 4.5775 0.0000 . 1 . . . . A 13 A H3' . 31061 1 72 . 1 . 1 13 13 A H8 H 1 7.7298 0.0000 . 1 . . . . A 13 A H8 . 31061 1 73 . 1 . 1 13 13 A C2 C 13 154.1683 0.0000 . 1 . . . . A 13 A C2 . 31061 1 74 . 1 . 1 13 13 A C8 C 13 139.3964 0.0000 . 1 . . . . A 13 A C8 . 31061 1 75 . 1 . 1 14 14 G H1' H 1 5.8107 0.0000 . 1 . . . . A 14 G H1' . 31061 1 76 . 1 . 1 14 14 G H2' H 1 4.5264 0.0000 . 1 . . . . A 14 G H2' . 31061 1 77 . 1 . 1 14 14 G H3' H 1 4.5397 0.0000 . 1 . . . . A 14 G H3' . 31061 1 78 . 1 . 1 14 14 G H8 H 1 7.8116 0.0000 . 1 . . . . A 14 G H8 . 31061 1 79 . 1 . 1 15 15 A H1' H 1 5.9787 0.0000 . 1 . . . . A 15 A H1' . 31061 1 80 . 1 . 1 15 15 A H2 H 1 7.3367 0.0000 . 1 . . . . A 15 A H2 . 31061 1 81 . 1 . 1 15 15 A H2' H 1 4.5492 0.0000 . 1 . . . . A 15 A H2' . 31061 1 82 . 1 . 1 15 15 A H8 H 1 7.9165 0.0000 . 1 . . . . A 15 A H8 . 31061 1 83 . 1 . 1 15 15 A C2 C 13 154.1648 0.0000 . 1 . . . . A 15 A C2 . 31061 1 84 . 1 . 1 15 15 A C8 C 13 140.7966 0.0000 . 1 . . . . A 15 A C8 . 31061 1 85 . 1 . 1 16 16 U H1' H 1 5.4283 0.0000 . 1 . . . . A 16 U H1' . 31061 1 86 . 1 . 1 16 16 U H2' H 1 4.5700 0.0000 . 1 . . . . A 16 U H2' . 31061 1 87 . 1 . 1 16 16 U H3' H 1 4.5372 0.0000 . 1 . . . . A 16 U H3' . 31061 1 88 . 1 . 1 16 16 U H5 H 1 5.0307 0.0000 . 1 . . . . A 16 U H5 . 31061 1 89 . 1 . 1 16 16 U H6 H 1 7.5682 0.0000 . 1 . . . . A 16 U H6 . 31061 1 90 . 1 . 1 17 17 G H1' H 1 5.7722 0.0000 . 1 . . . . A 17 G H1' . 31061 1 91 . 1 . 1 17 17 G H2' H 1 4.5398 0.0000 . 1 . . . . A 17 G H2' . 31061 1 92 . 1 . 1 17 17 G H8 H 1 7.6393 0.0000 . 1 . . . . A 17 G H8 . 31061 1 93 . 1 . 1 17 17 G C8 C 13 137.6954 0.0000 . 1 . . . . A 17 G C8 . 31061 1 94 . 1 . 1 18 18 C H2' H 1 4.6461 0.0000 . 1 . . . . A 18 C H2' . 31061 1 95 . 1 . 1 18 18 C H3' H 1 4.5608 0.0000 . 1 . . . . A 18 C H3' . 31061 1 96 . 1 . 1 18 18 C H5 H 1 5.5209 0.0000 . 1 . . . . A 18 C H5 . 31061 1 97 . 1 . 1 18 18 C H6 H 1 7.8709 0.0000 . 1 . . . . A 18 C H6 . 31061 1 98 . 1 . 1 19 19 U H1' H 1 5.7584 0.0000 . 1 . . . . A 19 U H1' . 31061 1 99 . 1 . 1 19 19 U H2' H 1 4.5773 0.0000 . 1 . . . . A 19 U H2' . 31061 1 100 . 1 . 1 19 19 U H3' H 1 4.5289 0.0000 . 1 . . . . A 19 U H3' . 31061 1 101 . 1 . 1 19 19 U H5 H 1 5.6834 0.0000 . 1 . . . . A 19 U H5 . 31061 1 102 . 1 . 1 19 19 U H6 H 1 7.8327 0.0000 . 1 . . . . A 19 U H6 . 31061 1 103 . 1 . 1 20 20 G H1' H 1 5.8187 0.0000 . 1 . . . . A 20 G H1' . 31061 1 104 . 1 . 1 20 20 G H2' H 1 4.6360 0.0000 . 1 . . . . A 20 G H2' . 31061 1 105 . 1 . 1 20 20 G H3' H 1 4.6202 0.0000 . 1 . . . . A 20 G H3' . 31061 1 106 . 1 . 1 20 20 G H8 H 1 7.8382 0.0000 . 1 . . . . A 20 G H8 . 31061 1 107 . 1 . 1 20 20 G C8 C 13 137.5641 0.0000 . 1 . . . . A 20 G C8 . 31061 1 108 . 1 . 1 21 21 G H1' H 1 5.7341 0.0000 . 1 . . . . A 21 G H1' . 31061 1 109 . 1 . 1 21 21 G H2' H 1 4.1851 0.0000 . 1 . . . . A 21 G H2' . 31061 1 110 . 1 . 1 21 21 G H3' H 1 4.6873 0.0000 . 1 . . . . A 21 G H3' . 31061 1 111 . 1 . 1 21 21 G H8 H 1 7.3484 0.0000 . 1 . . . . A 21 G H8 . 31061 1 112 . 1 . 1 21 21 G C8 C 13 136.6564 0.0000 . 1 . . . . A 21 G C8 . 31061 1 113 . 1 . 1 22 22 C H1' H 1 5.5565 0.0000 . 1 . . . . A 22 C H1' . 31061 1 114 . 1 . 1 22 22 C H2' H 1 4.5917 0.0000 . 1 . . . . A 22 C H2' . 31061 1 115 . 1 . 1 22 22 C H3' H 1 4.6926 0.0000 . 1 . . . . A 22 C H3' . 31061 1 116 . 1 . 1 22 22 C H5 H 1 5.2710 0.0000 . 1 . . . . A 22 C H5 . 31061 1 117 . 1 . 1 22 22 C H6 H 1 7.6563 0.0000 . 1 . . . . A 22 C H6 . 31061 1 118 . 1 . 1 23 23 A H1' H 1 6.0169 0.0000 . 1 . . . . A 23 A H1' . 31061 1 119 . 1 . 1 23 23 A H2 H 1 7.3397 0.0000 . 1 . . . . A 23 A H2 . 31061 1 120 . 1 . 1 23 23 A H2' H 1 4.6606 0.0000 . 1 . . . . A 23 A H2' . 31061 1 121 . 1 . 1 23 23 A H3' H 1 4.6185 0.0000 . 1 . . . . A 23 A H3' . 31061 1 122 . 1 . 1 23 23 A H8 H 1 8.0731 0.0000 . 1 . . . . A 23 A H8 . 31061 1 123 . 1 . 1 23 23 A C2 C 13 153.7607 0.0000 . 1 . . . . A 23 A C2 . 31061 1 124 . 1 . 1 23 23 A C8 C 13 140.7649 0.0000 . 1 . . . . A 23 A C8 . 31061 1 125 . 1 . 1 24 24 U H1' H 1 5.5241 0.0000 . 1 . . . . A 24 U H1' . 31061 1 126 . 1 . 1 24 24 U H2' H 1 4.5917 0.0000 . 1 . . . . A 24 U H2' . 31061 1 127 . 1 . 1 24 24 U H3' H 1 4.6269 0.0000 . 1 . . . . A 24 U H3' . 31061 1 128 . 1 . 1 24 24 U H5 H 1 5.1413 0.0000 . 1 . . . . A 24 U H5 . 31061 1 129 . 1 . 1 24 24 U H6 H 1 7.6989 0.0000 . 1 . . . . A 24 U H6 . 31061 1 130 . 1 . 1 25 25 A H1' H 1 6.0518 0.0000 . 1 . . . . A 25 A H1' . 31061 1 131 . 1 . 1 25 25 A H2 H 1 6.8549 0.0000 . 1 . . . . A 25 A H2 . 31061 1 132 . 1 . 1 25 25 A H2' H 1 4.6221 0.0000 . 1 . . . . A 25 A H2' . 31061 1 133 . 1 . 1 25 25 A H3' H 1 4.6238 0.0000 . 1 . . . . A 25 A H3' . 31061 1 134 . 1 . 1 25 25 A H8 H 1 8.1430 0.0000 . 1 . . . . A 25 A H8 . 31061 1 135 . 1 . 1 25 25 A C2 C 13 153.2646 0.0000 . 1 . . . . A 25 A C2 . 31061 1 136 . 1 . 1 25 25 A C8 C 13 140.4582 0.0000 . 1 . . . . A 25 A C8 . 31061 1 137 . 1 . 1 26 26 G H1' H 1 5.6890 0.0000 . 1 . . . . A 26 G H1' . 31061 1 138 . 1 . 1 26 26 G H2' H 1 4.5301 0.0000 . 1 . . . . A 26 G H2' . 31061 1 139 . 1 . 1 26 26 G H3' H 1 4.6030 0.0000 . 1 . . . . A 26 G H3' . 31061 1 140 . 1 . 1 26 26 G H8 H 1 7.3591 0.0000 . 1 . . . . A 26 G H8 . 31061 1 141 . 1 . 1 26 26 G C8 C 13 136.5396 0.0000 . 1 . . . . A 26 G C8 . 31061 1 142 . 1 . 1 27 27 C H1' H 1 5.5606 0.0000 . 1 . . . . A 27 C H1' . 31061 1 143 . 1 . 1 27 27 C H3' H 1 4.6092 0.0000 . 1 . . . . A 27 C H3' . 31061 1 144 . 1 . 1 27 27 C H5 H 1 5.2706 0.0000 . 1 . . . . A 27 C H5 . 31061 1 145 . 1 . 1 27 27 C H6 H 1 7.4762 0.0000 . 1 . . . . A 27 C H6 . 31061 1 146 . 1 . 1 28 28 U H1' H 1 5.7172 0.0000 . 1 . . . . A 28 U H1' . 31061 1 147 . 1 . 1 28 28 U H2' H 1 4.5606 0.0000 . 1 . . . . A 28 U H2' . 31061 1 148 . 1 . 1 28 28 U H3' H 1 4.6147 0.0000 . 1 . . . . A 28 U H3' . 31061 1 149 . 1 . 1 28 28 U H5 H 1 5.6314 0.0000 . 1 . . . . A 28 U H5 . 31061 1 150 . 1 . 1 28 28 U H6 H 1 7.7476 0.0000 . 1 . . . . A 28 U H6 . 31061 1 151 . 1 . 1 29 29 G H1' H 1 5.7980 0.0000 . 1 . . . . A 29 G H1' . 31061 1 152 . 1 . 1 29 29 G H2' H 1 4.6183 0.0000 . 1 . . . . A 29 G H2' . 31061 1 153 . 1 . 1 29 29 G H3' H 1 4.6636 0.0000 . 1 . . . . A 29 G H3' . 31061 1 154 . 1 . 1 29 29 G H8 H 1 7.9045 0.0000 . 1 . . . . A 29 G H8 . 31061 1 155 . 1 . 1 29 29 G C8 C 13 138.4464 0.0000 . 1 . . . . A 29 G C8 . 31061 1 156 . 1 . 1 30 30 U H1' H 1 5.7935 0.0000 . 1 . . . . A 30 U H1' . 31061 1 157 . 1 . 1 30 30 U H2' H 1 4.5448 0.0000 . 1 . . . . A 30 U H2' . 31061 1 158 . 1 . 1 30 30 U H3' H 1 4.6602 0.0000 . 1 . . . . A 30 U H3' . 31061 1 159 . 1 . 1 30 30 U H5 H 1 5.3774 0.0000 . 1 . . . . A 30 U H5 . 31061 1 160 . 1 . 1 30 30 U H6 H 1 7.8177 0.0000 . 1 . . . . A 30 U H6 . 31061 1 161 . 1 . 1 31 31 U H1' H 1 5.8280 0.0000 . 1 . . . . A 31 U H1' . 31061 1 162 . 1 . 1 31 31 U H2' H 1 4.6360 0.0000 . 1 . . . . A 31 U H2' . 31061 1 163 . 1 . 1 31 31 U H3' H 1 4.4830 0.0000 . 1 . . . . A 31 U H3' . 31061 1 164 . 1 . 1 31 31 U H5 H 1 5.7005 0.0000 . 1 . . . . A 31 U H5 . 31061 1 165 . 1 . 1 31 31 U H6 H 1 7.8694 0.0000 . 1 . . . . A 31 U H6 . 31061 1 166 . 1 . 1 32 32 G H1' H 1 5.8181 0.0000 . 1 . . . . A 32 G H1' . 31061 1 167 . 1 . 1 32 32 G H2' H 1 4.5715 0.0000 . 1 . . . . A 32 G H2' . 31061 1 168 . 1 . 1 32 32 G H3' H 1 4.6237 0.0000 . 1 . . . . A 32 G H3' . 31061 1 169 . 1 . 1 32 32 G H8 H 1 7.8979 0.0000 . 1 . . . . A 32 G H8 . 31061 1 170 . 1 . 1 32 32 G C8 C 13 139.6355 0.0000 . 1 . . . . A 32 G C8 . 31061 1 171 . 1 . 1 33 33 A H1' H 1 5.8786 0.0000 . 1 . . . . A 33 A H1' . 31061 1 172 . 1 . 1 33 33 A H2 H 1 7.8892 0.0000 . 1 . . . . A 33 A H2 . 31061 1 173 . 1 . 1 33 33 A H2' H 1 4.7578 0.0000 . 1 . . . . A 33 A H2' . 31061 1 174 . 1 . 1 33 33 A H3' H 1 4.8120 0.0000 . 1 . . . . A 33 A H3' . 31061 1 175 . 1 . 1 33 33 A H8 H 1 8.1978 0.0000 . 1 . . . . A 33 A H8 . 31061 1 176 . 1 . 1 33 33 A C2 C 13 155.4939 0.0000 . 1 . . . . A 33 A C2 . 31061 1 177 . 1 . 1 33 33 A C8 C 13 142.1314 0.0000 . 1 . . . . A 33 A C8 . 31061 1 178 . 1 . 1 34 34 A H1' H 1 5.9267 0.0000 . 1 . . . . A 34 A H1' . 31061 1 179 . 1 . 1 34 34 A H2 H 1 8.1091 0.0000 . 1 . . . . A 34 A H2 . 31061 1 180 . 1 . 1 34 34 A H2' H 1 4.5821 0.0000 . 1 . . . . A 34 A H2' . 31061 1 181 . 1 . 1 34 34 A H3' H 1 4.8129 0.0000 . 1 . . . . A 34 A H3' . 31061 1 182 . 1 . 1 34 34 A H8 H 1 8.1922 0.0000 . 1 . . . . A 34 A H8 . 31061 1 183 . 1 . 1 34 34 A C2 C 13 156.0183 0.0000 . 1 . . . . A 34 A C2 . 31061 1 184 . 1 . 1 34 34 A C8 C 13 141.7073 0.0000 . 1 . . . . A 34 A C8 . 31061 1 185 . 1 . 1 35 35 C H1' H 1 5.7602 0.0000 . 1 . . . . A 35 C H1' . 31061 1 186 . 1 . 1 35 35 C H2' H 1 4.3382 0.0000 . 1 . . . . A 35 C H2' . 31061 1 187 . 1 . 1 35 35 C H3' H 1 4.6459 0.0000 . 1 . . . . A 35 C H3' . 31061 1 188 . 1 . 1 35 35 C H5 H 1 5.7224 0.0000 . 1 . . . . A 35 C H5 . 31061 1 189 . 1 . 1 35 35 C H6 H 1 7.6388 0.0000 . 1 . . . . A 35 C H6 . 31061 1 190 . 1 . 1 36 36 U H1' H 1 5.8665 0.0000 . 1 . . . . A 36 U H1' . 31061 1 191 . 1 . 1 36 36 U H2' H 1 4.5860 0.0000 . 1 . . . . A 36 U H2' . 31061 1 192 . 1 . 1 36 36 U H3' H 1 4.3341 0.0000 . 1 . . . . A 36 U H3' . 31061 1 193 . 1 . 1 36 36 U H5 H 1 5.8756 0.0000 . 1 . . . . A 36 U H5 . 31061 1 194 . 1 . 1 36 36 U H6 H 1 7.7834 0.0000 . 1 . . . . A 36 U H6 . 31061 1 195 . 1 . 1 37 37 G H1' H 1 5.6946 0.0000 . 1 . . . . A 37 G H1' . 31061 1 196 . 1 . 1 37 37 G H2' H 1 4.6035 0.0000 . 1 . . . . A 37 G H2' . 31061 1 197 . 1 . 1 37 37 G H3' H 1 4.6491 0.0000 . 1 . . . . A 37 G H3' . 31061 1 198 . 1 . 1 37 37 G H8 H 1 7.9028 0.0000 . 1 . . . . A 37 G H8 . 31061 1 199 . 1 . 1 37 37 G C8 C 13 140.4803 0.0000 . 1 . . . . A 37 G C8 . 31061 1 200 . 1 . 1 38 38 G H1' H 1 5.7056 0.0000 . 1 . . . . A 38 G H1' . 31061 1 201 . 1 . 1 38 38 G H2' H 1 4.5805 0.0000 . 1 . . . . A 38 G H2' . 31061 1 202 . 1 . 1 38 38 G H3' H 1 4.5476 0.0000 . 1 . . . . A 38 G H3' . 31061 1 203 . 1 . 1 38 38 G H8 H 1 7.8851 0.0000 . 1 . . . . A 38 G H8 . 31061 1 204 . 1 . 1 38 38 G C8 C 13 139.8869 0.0000 . 1 . . . . A 38 G C8 . 31061 1 205 . 1 . 1 39 39 G H1' H 1 5.8106 0.0000 . 1 . . . . A 39 G H1' . 31061 1 206 . 1 . 1 39 39 G H2' H 1 4.6457 0.0000 . 1 . . . . A 39 G H2' . 31061 1 207 . 1 . 1 39 39 G H3' H 1 4.7002 0.0000 . 1 . . . . A 39 G H3' . 31061 1 208 . 1 . 1 39 39 G H8 H 1 8.0006 0.0000 . 1 . . . . A 39 G H8 . 31061 1 209 . 1 . 1 39 39 G C8 C 13 140.6255 0.0000 . 1 . . . . A 39 G C8 . 31061 1 210 . 1 . 1 40 40 A H1' H 1 5.8744 0.0000 . 1 . . . . A 40 A H1' . 31061 1 211 . 1 . 1 40 40 A H2 H 1 7.5771 0.0000 . 1 . . . . A 40 A H2 . 31061 1 212 . 1 . 1 40 40 A H2' H 1 4.5939 0.0000 . 1 . . . . A 40 A H2' . 31061 1 213 . 1 . 1 40 40 A H3' H 1 4.6019 0.0000 . 1 . . . . A 40 A H3' . 31061 1 214 . 1 . 1 40 40 A H8 H 1 8.2647 0.0000 . 1 . . . . A 40 A H8 . 31061 1 215 . 1 . 1 40 40 A C2 C 13 154.4421 0.0000 . 1 . . . . A 40 A C2 . 31061 1 216 . 1 . 1 40 40 A C8 C 13 141.8667 0.0000 . 1 . . . . A 40 A C8 . 31061 1 217 . 1 . 1 41 41 A H1' H 1 5.9201 0.0000 . 1 . . . . A 41 A H1' . 31061 1 218 . 1 . 1 41 41 A H2 H 1 7.9782 0.0000 . 1 . . . . A 41 A H2 . 31061 1 219 . 1 . 1 41 41 A H2' H 1 4.5876 0.0000 . 1 . . . . A 41 A H2' . 31061 1 220 . 1 . 1 41 41 A H3' H 1 4.6963 0.0000 . 1 . . . . A 41 A H3' . 31061 1 221 . 1 . 1 41 41 A H8 H 1 8.0601 0.0000 . 1 . . . . A 41 A H8 . 31061 1 222 . 1 . 1 41 41 A C2 C 13 155.1503 0.0000 . 1 . . . . A 41 A C2 . 31061 1 223 . 1 . 1 41 41 A C8 C 13 140.5703 0.0000 . 1 . . . . A 41 A C8 . 31061 1 224 . 1 . 1 42 42 C H1' H 1 5.5499 0.0000 . 1 . . . . A 42 C H1' . 31061 1 225 . 1 . 1 42 42 C H2' H 1 4.5182 0.0000 . 1 . . . . A 42 C H2' . 31061 1 226 . 1 . 1 42 42 C H3' H 1 4.6036 0.0000 . 1 . . . . A 42 C H3' . 31061 1 227 . 1 . 1 42 42 C H5 H 1 5.3927 0.0000 . 1 . . . . A 42 C H5 . 31061 1 228 . 1 . 1 42 42 C H6 H 1 7.4578 0.0000 . 1 . . . . A 42 C H6 . 31061 1 229 . 1 . 1 43 43 C H1' H 1 5.5191 0.0000 . 1 . . . . A 43 C H1' . 31061 1 230 . 1 . 1 43 43 C H2' H 1 4.5813 0.0000 . 1 . . . . A 43 C H2' . 31061 1 231 . 1 . 1 43 43 C H5 H 1 5.7613 0.0000 . 1 . . . . A 43 C H5 . 31061 1 232 . 1 . 1 43 43 C H6 H 1 7.7396 0.0000 . 1 . . . . A 43 C H6 . 31061 1 233 . 1 . 1 44 44 U H1' H 1 5.6932 0.0000 . 1 . . . . A 44 U H1' . 31061 1 234 . 1 . 1 44 44 U H2' H 1 4.5852 0.0000 . 1 . . . . A 44 U H2' . 31061 1 235 . 1 . 1 44 44 U H3' H 1 4.6247 0.0000 . 1 . . . . A 44 U H3' . 31061 1 236 . 1 . 1 44 44 U H5 H 1 5.6747 0.0000 . 1 . . . . A 44 U H5 . 31061 1 237 . 1 . 1 44 44 U H6 H 1 7.8454 0.0000 . 1 . . . . A 44 U H6 . 31061 1 238 . 1 . 1 45 45 G H1' H 1 5.9025 0.0000 . 1 . . . . A 45 G H1' . 31061 1 239 . 1 . 1 45 45 G H2' H 1 4.5896 0.0000 . 1 . . . . A 45 G H2' . 31061 1 240 . 1 . 1 45 45 G H3' H 1 4.5901 0.0000 . 1 . . . . A 45 G H3' . 31061 1 241 . 1 . 1 45 45 G H8 H 1 7.9602 0.0000 . 1 . . . . A 45 G H8 . 31061 1 242 . 1 . 1 45 45 G C8 C 13 138.0834 0.0000 . 1 . . . . A 45 G C8 . 31061 1 243 . 1 . 1 46 46 C H1' H 1 5.6707 0.0000 . 1 . . . . A 46 C H1' . 31061 1 244 . 1 . 1 46 46 C H2' H 1 4.5871 0.0000 . 1 . . . . A 46 C H2' . 31061 1 245 . 1 . 1 46 46 C H3' H 1 4.5478 0.0000 . 1 . . . . A 46 C H3' . 31061 1 246 . 1 . 1 46 46 C H5 H 1 5.3766 0.0000 . 1 . . . . A 46 C H5 . 31061 1 247 . 1 . 1 46 46 C H6 H 1 7.7318 0.0000 . 1 . . . . A 46 C H6 . 31061 1 248 . 1 . 1 47 47 U H1' H 1 5.6328 0.0000 . 1 . . . . A 47 U H1' . 31061 1 249 . 1 . 1 47 47 U H2' H 1 4.7029 0.0000 . 1 . . . . A 47 U H2' . 31061 1 250 . 1 . 1 47 47 U H3' H 1 4.6261 0.0000 . 1 . . . . A 47 U H3' . 31061 1 251 . 1 . 1 47 47 U H5 H 1 5.5521 0.0000 . 1 . . . . A 47 U H5 . 31061 1 252 . 1 . 1 47 47 U H6 H 1 7.9934 0.0000 . 1 . . . . A 47 U H6 . 31061 1 253 . 1 . 1 48 48 A H1' H 1 6.0743 0.0000 . 1 . . . . A 48 A H1' . 31061 1 254 . 1 . 1 48 48 A H2 H 1 7.0974 0.0000 . 1 . . . . A 48 A H2 . 31061 1 255 . 1 . 1 48 48 A H2' H 1 4.6720 0.0000 . 1 . . . . A 48 A H2' . 31061 1 256 . 1 . 1 48 48 A H3' H 1 4.6360 0.0000 . 1 . . . . A 48 A H3' . 31061 1 257 . 1 . 1 48 48 A H8 H 1 8.2772 0.0000 . 1 . . . . A 48 A H8 . 31061 1 258 . 1 . 1 48 48 A C2 C 13 153.7951 0.0000 . 1 . . . . A 48 A C2 . 31061 1 259 . 1 . 1 48 48 A C8 C 13 140.4595 0.0000 . 1 . . . . A 48 A C8 . 31061 1 260 . 1 . 1 49 49 U H1' H 1 5.5111 0.0000 . 1 . . . . A 49 U H1' . 31061 1 261 . 1 . 1 49 49 U H2' H 1 4.6159 0.0000 . 1 . . . . A 49 U H2' . 31061 1 262 . 1 . 1 49 49 U H3' H 1 4.5504 0.0000 . 1 . . . . A 49 U H3' . 31061 1 263 . 1 . 1 49 49 U H5 H 1 5.0925 0.0000 . 1 . . . . A 49 U H5 . 31061 1 264 . 1 . 1 49 49 U H6 H 1 7.6788 0.0000 . 1 . . . . A 49 U H6 . 31061 1 265 . 1 . 1 50 50 G H1' H 1 5.8430 0.0000 . 1 . . . . A 50 G H1' . 31061 1 266 . 1 . 1 50 50 G H2' H 1 4.5624 0.0000 . 1 . . . . A 50 G H2' . 31061 1 267 . 1 . 1 50 50 G H3' H 1 4.5858 0.0000 . 1 . . . . A 50 G H3' . 31061 1 268 . 1 . 1 50 50 G H8 H 1 7.7381 0.0000 . 1 . . . . A 50 G H8 . 31061 1 269 . 1 . 1 50 50 G C8 C 13 136.9487 0.0000 . 1 . . . . A 50 G C8 . 31061 1 270 . 1 . 1 51 51 C H1' H 1 5.5354 0.0000 . 1 . . . . A 51 C H1' . 31061 1 271 . 1 . 1 51 51 C H2' H 1 4.5656 0.0000 . 1 . . . . A 51 C H2' . 31061 1 272 . 1 . 1 51 51 C H3' H 1 4.6046 0.0000 . 1 . . . . A 51 C H3' . 31061 1 273 . 1 . 1 51 51 C H5 H 1 5.5327 0.0000 . 1 . . . . A 51 C H5 . 31061 1 274 . 1 . 1 51 51 C H6 H 1 7.7575 0.0000 . 1 . . . . A 51 C H6 . 31061 1 275 . 1 . 1 52 52 C H1' H 1 5.5459 0.0000 . 1 . . . . A 52 C H1' . 31061 1 276 . 1 . 1 52 52 C H2' H 1 4.6193 0.0000 . 1 . . . . A 52 C H2' . 31061 1 277 . 1 . 1 52 52 C H3' H 1 4.5992 0.0000 . 1 . . . . A 52 C H3' . 31061 1 278 . 1 . 1 52 52 C H5 H 1 5.2498 0.0000 . 1 . . . . A 52 C H5 . 31061 1 279 . 1 . 1 52 52 C H6 H 1 7.7244 0.0000 . 1 . . . . A 52 C H6 . 31061 1 280 . 1 . 1 53 53 A H1' H 1 5.9235 0.0000 . 1 . . . . A 53 A H1' . 31061 1 281 . 1 . 1 53 53 A H2 H 1 6.6383 0.0000 . 1 . . . . A 53 A H2 . 31061 1 282 . 1 . 1 53 53 A H2' H 1 4.6063 0.0000 . 1 . . . . A 53 A H2' . 31061 1 283 . 1 . 1 53 53 A H3' H 1 4.5781 0.0000 . 1 . . . . A 53 A H3' . 31061 1 284 . 1 . 1 53 53 A H8 H 1 7.9696 0.0000 . 1 . . . . A 53 A H8 . 31061 1 285 . 1 . 1 53 53 A C8 C 13 139.8936 0.0000 . 1 . . . . A 53 A C8 . 31061 1 286 . 1 . 1 54 54 A H1' H 1 6.0625 0.0000 . 1 . . . . A 54 A H1' . 31061 1 287 . 1 . 1 54 54 A H2 H 1 8.1289 0.0000 . 1 . . . . A 54 A H2 . 31061 1 288 . 1 . 1 54 54 A H2' H 1 4.5910 0.0000 . 1 . . . . A 54 A H2' . 31061 1 289 . 1 . 1 54 54 A H3' H 1 4.6418 0.0000 . 1 . . . . A 54 A H3' . 31061 1 290 . 1 . 1 54 54 A H8 H 1 7.9940 0.0000 . 1 . . . . A 54 A H8 . 31061 1 291 . 1 . 1 54 54 A C2 C 13 155.9456 0.0000 . 1 . . . . A 54 A C2 . 31061 1 292 . 1 . 1 54 54 A C8 C 13 140.1449 0.0000 . 1 . . . . A 54 A C8 . 31061 1 293 . 1 . 1 55 55 C H1' H 1 5.4409 0.0000 . 1 . . . . A 55 C H1' . 31061 1 294 . 1 . 1 55 55 C H2' H 1 4.5555 0.0000 . 1 . . . . A 55 C H2' . 31061 1 295 . 1 . 1 55 55 C H3' H 1 4.5720 0.0000 . 1 . . . . A 55 C H3' . 31061 1 296 . 1 . 1 55 55 C H5 H 1 5.3717 0.0000 . 1 . . . . A 55 C H5 . 31061 1 297 . 1 . 1 55 55 C H6 H 1 7.5963 0.0000 . 1 . . . . A 55 C H6 . 31061 1 298 . 1 . 1 56 56 A H1' H 1 5.9943 0.0000 . 1 . . . . A 56 A H1' . 31061 1 299 . 1 . 1 56 56 A H2 H 1 7.3357 0.0000 . 1 . . . . A 56 A H2 . 31061 1 300 . 1 . 1 56 56 A H2' H 1 4.5408 0.0000 . 1 . . . . A 56 A H2' . 31061 1 301 . 1 . 1 56 56 A H3' H 1 4.5882 0.0000 . 1 . . . . A 56 A H3' . 31061 1 302 . 1 . 1 56 56 A H8 H 1 8.0007 0.0000 . 1 . . . . A 56 A H8 . 31061 1 303 . 1 . 1 56 56 A C2 C 13 153.9304 0.0000 . 1 . . . . A 56 A C2 . 31061 1 304 . 1 . 1 56 56 A C8 C 13 140.3163 0.0000 . 1 . . . . A 56 A C8 . 31061 1 305 . 1 . 1 57 57 U H1' H 1 5.5589 0.0000 . 1 . . . . A 57 U H1' . 31061 1 306 . 1 . 1 57 57 U H2' H 1 4.6321 0.0000 . 1 . . . . A 57 U H2' . 31061 1 307 . 1 . 1 57 57 U H3' H 1 4.5936 0.0000 . 1 . . . . A 57 U H3' . 31061 1 308 . 1 . 1 57 57 U H5 H 1 5.0401 0.0000 . 1 . . . . A 57 U H5 . 31061 1 309 . 1 . 1 57 57 U H6 H 1 7.5977 0.0000 . 1 . . . . A 57 U H6 . 31061 1 310 . 1 . 1 58 58 A H1' H 1 6.1027 0.0000 . 1 . . . . A 58 A H1' . 31061 1 311 . 1 . 1 58 58 A H2 H 1 7.6554 0.0000 . 1 . . . . A 58 A H2 . 31061 1 312 . 1 . 1 58 58 A H2' H 1 4.5800 0.0000 . 1 . . . . A 58 A H2' . 31061 1 313 . 1 . 1 58 58 A H3' H 1 4.5538 0.0000 . 1 . . . . A 58 A H3' . 31061 1 314 . 1 . 1 58 58 A H8 H 1 8.1898 0.0000 . 1 . . . . A 58 A H8 . 31061 1 315 . 1 . 1 58 58 A C2 C 13 154.6613 0.0000 . 1 . . . . A 58 A C2 . 31061 1 316 . 1 . 1 58 58 A C8 C 13 140.8530 0.0000 . 1 . . . . A 58 A C8 . 31061 1 317 . 1 . 1 59 59 U H1' H 1 5.3081 0.0000 . 1 . . . . A 59 U H1' . 31061 1 318 . 1 . 1 59 59 U H2' H 1 4.5262 0.0000 . 1 . . . . A 59 U H2' . 31061 1 319 . 1 . 1 59 59 U H3' H 1 4.5155 0.0000 . 1 . . . . A 59 U H3' . 31061 1 320 . 1 . 1 59 59 U H5 H 1 5.3633 0.0000 . 1 . . . . A 59 U H5 . 31061 1 321 . 1 . 1 59 59 U H6 H 1 7.4581 0.0000 . 1 . . . . A 59 U H6 . 31061 1 322 . 1 . 1 60 60 U H1' H 1 5.7056 0.0000 . 1 . . . . A 60 U H1' . 31061 1 323 . 1 . 1 60 60 U H2' H 1 4.5763 0.0000 . 1 . . . . A 60 U H2' . 31061 1 324 . 1 . 1 60 60 U H3' H 1 4.6085 0.0000 . 1 . . . . A 60 U H3' . 31061 1 325 . 1 . 1 60 60 U H5 H 1 5.5741 0.0000 . 1 . . . . A 60 U H5 . 31061 1 326 . 1 . 1 60 60 U H6 H 1 8.0235 0.0000 . 1 . . . . A 60 U H6 . 31061 1 327 . 1 . 1 61 61 G H1' H 1 5.8281 0.0000 . 1 . . . . A 61 G H1' . 31061 1 328 . 1 . 1 61 61 G H2' H 1 4.5991 0.0000 . 1 . . . . A 61 G H2' . 31061 1 329 . 1 . 1 61 61 G H3' H 1 4.4892 0.0000 . 1 . . . . A 61 G H3' . 31061 1 330 . 1 . 1 61 61 G H8 H 1 7.8045 0.0000 . 1 . . . . A 61 G H8 . 31061 1 331 . 1 . 1 61 61 G C8 C 13 137.0593 0.0000 . 1 . . . . A 61 G C8 . 31061 1 332 . 1 . 1 62 62 C H1' H 1 5.5235 0.0000 . 1 . . . . A 62 C H1' . 31061 1 333 . 1 . 1 62 62 C H2' H 1 4.6663 0.0000 . 1 . . . . A 62 C H2' . 31061 1 334 . 1 . 1 62 62 C H3' H 1 4.4945 0.0000 . 1 . . . . A 62 C H3' . 31061 1 335 . 1 . 1 62 62 C H5 H 1 5.2776 0.0000 . 1 . . . . A 62 C H5 . 31061 1 336 . 1 . 1 62 62 C H6 H 1 7.7057 0.0000 . 1 . . . . A 62 C H6 . 31061 1 337 . 1 . 1 63 63 C H1' H 1 5.4854 0.0000 . 1 . . . . A 63 C H1' . 31061 1 338 . 1 . 1 63 63 C H2' H 1 4.6298 0.0000 . 1 . . . . A 63 C H2' . 31061 1 339 . 1 . 1 63 63 C H3' H 1 4.5161 0.0000 . 1 . . . . A 63 C H3' . 31061 1 340 . 1 . 1 63 63 C H5 H 1 5.5151 0.0000 . 1 . . . . A 63 C H5 . 31061 1 341 . 1 . 1 63 63 C H6 H 1 7.6768 0.0000 . 1 . . . . A 63 C H6 . 31061 1 342 . 1 . 1 64 64 A H1' H 1 6.0701 0.0000 . 1 . . . . A 64 A H1' . 31061 1 343 . 1 . 1 64 64 A H2 H 1 8.4490 0.0000 . 1 . . . . A 64 A H2 . 31061 1 344 . 1 . 1 64 64 A H2' H 1 4.5985 0.0000 . 1 . . . . A 64 A H2' . 31061 1 345 . 1 . 1 64 64 A H3' H 1 4.5191 0.0000 . 1 . . . . A 64 A H3' . 31061 1 346 . 1 . 1 64 64 A H8 H 1 8.2603 0.0000 . 1 . . . . A 64 A H8 . 31061 1 347 . 1 . 1 64 64 A C2 C 13 156.4797 0.0000 . 1 . . . . A 64 A C2 . 31061 1 348 . 1 . 1 64 64 A C8 C 13 140.5053 0.0000 . 1 . . . . A 64 A C8 . 31061 1 349 . 1 . 1 65 65 U H1' H 1 5.5718 0.0000 . 1 . . . . A 65 U H1' . 31061 1 350 . 1 . 1 65 65 U H2' H 1 4.5397 0.0000 . 1 . . . . A 65 U H2' . 31061 1 351 . 1 . 1 65 65 U H3' H 1 4.5114 0.0000 . 1 . . . . A 65 U H3' . 31061 1 352 . 1 . 1 65 65 U H5 H 1 5.1218 0.0000 . 1 . . . . A 65 U H5 . 31061 1 353 . 1 . 1 65 65 U H6 H 1 7.4872 0.0000 . 1 . . . . A 65 U H6 . 31061 1 354 . 1 . 1 66 66 C H1' H 1 5.6486 0.0000 . 1 . . . . A 66 C H1' . 31061 1 355 . 1 . 1 66 66 C H2' H 1 4.2139 0.0000 . 1 . . . . A 66 C H2' . 31061 1 356 . 1 . 1 66 66 C H3' H 1 4.5722 0.0000 . 1 . . . . A 66 C H3' . 31061 1 357 . 1 . 1 66 66 C H5 H 1 5.7264 0.0000 . 1 . . . . A 66 C H5 . 31061 1 358 . 1 . 1 66 66 C H6 H 1 8.0725 0.0000 . 1 . . . . A 66 C H6 . 31061 1 359 . 1 . 1 67 67 U H1' H 1 5.5752 0.0000 . 1 . . . . A 67 U H1' . 31061 1 360 . 1 . 1 67 67 U H2' H 1 4.5780 0.0000 . 1 . . . . A 67 U H2' . 31061 1 361 . 1 . 1 67 67 U H3' H 1 4.6502 0.0000 . 1 . . . . A 67 U H3' . 31061 1 362 . 1 . 1 67 67 U H5 H 1 5.4729 0.0000 . 1 . . . . A 67 U H5 . 31061 1 363 . 1 . 1 67 67 U H6 H 1 7.8516 0.0000 . 1 . . . . A 67 U H6 . 31061 1 364 . 1 . 1 68 68 U H1' H 1 5.6179 0.0000 . 1 . . . . A 68 U H1' . 31061 1 365 . 1 . 1 68 68 U H2' H 1 4.6608 0.0000 . 1 . . . . A 68 U H2' . 31061 1 366 . 1 . 1 68 68 U H3' H 1 4.5234 0.0000 . 1 . . . . A 68 U H3' . 31061 1 367 . 1 . 1 68 68 U H5 H 1 5.8935 0.0000 . 1 . . . . A 68 U H5 . 31061 1 368 . 1 . 1 68 68 U H6 H 1 8.0886 0.0000 . 1 . . . . A 68 U H6 . 31061 1 369 . 1 . 1 69 69 U H1' H 1 5.5973 0.0000 . 1 . . . . A 69 U H1' . 31061 1 370 . 1 . 1 69 69 U H2' H 1 4.6981 0.0000 . 1 . . . . A 69 U H2' . 31061 1 371 . 1 . 1 69 69 U H3' H 1 4.5778 0.0000 . 1 . . . . A 69 U H3' . 31061 1 372 . 1 . 1 69 69 U H5 H 1 5.7124 0.0000 . 1 . . . . A 69 U H5 . 31061 1 373 . 1 . 1 69 69 U H6 H 1 8.2267 0.0000 . 1 . . . . A 69 U H6 . 31061 1 374 . 1 . 1 70 70 C H1' H 1 5.6773 0.0000 . 1 . . . . A 70 C H1' . 31061 1 375 . 1 . 1 70 70 C H2' H 1 4.5364 0.0000 . 1 . . . . A 70 C H2' . 31061 1 376 . 1 . 1 70 70 C H3' H 1 4.5862 0.0000 . 1 . . . . A 70 C H3' . 31061 1 377 . 1 . 1 70 70 C H5 H 1 5.7732 0.0000 . 1 . . . . A 70 C H5 . 31061 1 378 . 1 . 1 70 70 C H6 H 1 8.0006 0.0000 . 1 . . . . A 70 C H6 . 31061 1 379 . 1 . 1 71 71 C H1' H 1 5.8407 0.0000 . 1 . . . . A 71 C H1' . 31061 1 380 . 1 . 1 71 71 C H2' H 1 4.2734 0.0000 . 1 . . . . A 71 C H2' . 31061 1 381 . 1 . 1 71 71 C H3' H 1 4.6427 0.0000 . 1 . . . . A 71 C H3' . 31061 1 382 . 1 . 1 71 71 C H5 H 1 5.5769 0.0000 . 1 . . . . A 71 C H5 . 31061 1 383 . 1 . 1 71 71 C H6 H 1 7.7761 0.0000 . 1 . . . . A 71 C H6 . 31061 1 stop_ save_